| # | Molecule | SimMap | Chembl_Id | ETA_pIC50 | ActClass_Pred | ActClass | ActClass_Prob | LogP |
| 0 |  |  | CHEMBL80857 | 8.854 | 1 | 1 | 0.84 | 4.213 |
| 1 |  |  | CHEMBL2058372 | 8.051 | 1 | 1 | 0.8 | 6.508 |
| 2 |  |  | CHEMBL94446 | 6.991 | 1 | 0 | 0.78 | 5.673 |
| 3 |  |  | CHEMBL11345 | 6.699 | 0 | 0 | 0.54 | 5.489 |
| 4 |  |  | CHEMBL433039 | 4.824 | 0 | 0 | 0.88 | 5.334 |
| 5 |  |  | CHEMBL2058371 | 8.032 | 1 | 1 | 0.92 | 6.808 |
| 6 |  |  | CHEMBL2058376 | 8.0 | 1 | 1 | 0.93 | 7.519 |
| 7 |  |  | CHEMBL80857 | 7.79 | 1 | 1 | 0.84 | 4.213 |
| 8 |  |  | CHEMBL413001 | 7.666 | 1 | 1 | 0.97 | 7.343 |
| 9 |  |  | CHEMBL417651 | 6.237 | 1 | 0 | 0.73 | 3.759 |
| 10 |  |  | CHEMBL76623 | 5.538 | 1 | 0 | 0.75 | 4.213 |
| 11 |  |  | CHEMBL31763 | 9.1 | 1 | 1 | 0.96 | 4.013 |
| 12 |  |  | CHEMBL285976 | 9.0 | 1 | 1 | 0.94 | 3.559 |
| 13 |  |  | CHEMBL241460 | 8.796 | 1 | 1 | 1.0 | 5.332 |
| 14 |  |  | CHEMBL31324 | 8.6 | 1 | 1 | 0.94 | 4.162 |
| 15 |  |  | CHEMBL2058377 | 7.959 | 1 | 1 | 0.93 | 6.408 |
| 16 |  |  | CHEMBL318086 | 7.772 | 1 | 1 | 0.77 | 6.979 |
| 17 |  |  | CHEMBL285512 | 7.5 | 1 | 1 | 0.79 | 3.716 |
| 18 |  |  | CHEMBL32512 | 7.4 | 1 | 1 | 0.78 | 2.814 |
| 19 |  |  | CHEMBL31781 | 4.602 | 0 | 0 | 0.85 | 6.218 |
| 20 |  |  | CHEMBL310739 | 8.42 | 1 | 1 | 0.85 | 4.104 |
| 21 |  |  | CHEMBL2058369 | 7.658 | 1 | 1 | 0.95 | 6.11 |
| 22 |  |  | CHEMBL2058367 | 7.125 | 1 | 1 | 0.95 | 5.466 |
| 23 |  |  | CHEMBL286687 | 6.538 | 0 | 0 | 0.9 | 4.181 |
| 24 |  |  | CHEMBL438194 | 5.456 | 1 | 0 | 0.71 | 4.246 |
| 25 |  |  | CHEMBL29265 | 5.119 | 0 | 0 | 0.86 | 5.487 |
| 26 |  |  | CHEMBL32066 | 9.3 | 1 | 1 | 0.95 | 3.82 |
| 27 |  |  | CHEMBL268201 | 8.337 | 1 | 1 | 0.97 | 6.953 |
| 28 |  |  | CHEMBL80538 | 6.921 | 1 | 0 | 0.73 | 4.213 |
| 29 |  |  | CHEMBL311510 | 6.796 | 1 | 0 | 0.74 | 4.104 |
| 30 |  |  | CHEMBL31662 | 6.456 | 0 | 0 | 0.8 | 4.743 |
| 31 |  |  | CHEMBL282187 | 9.3 | 1 | 1 | 0.96 | 3.836 |
| 32 |  |  | CHEMBL310427 | 8.081 | 1 | 1 | 0.84 | 3.759 |
| 33 |  |  | CHEMBL287581 | 7.4 | 1 | 1 | 0.96 | 4.914 |
| 34 |  |  | CHEMBL31524 | 4.319 | 0 | 0 | 0.94 | 4.189 |
| 35 |  |  | CHEMBL2058374 | 8.009 | 1 | 1 | 0.93 | 7.262 |
| 36 |  |  | CHEMBL283200 | 7.328 | 0 | 1 | 0.89 | 4.834 |
| 37 |  |  | CHEMBL44321 | 6.01 | 1 | 0 | 0.81 | 5.527 |
| 38 |  |  | CHEMBL438194 | 5.357 | 1 | 0 | 0.71 | 4.246 |
| 39 |  |  | CHEMBL311258 | 5.004 | 1 | 0 | 0.75 | 3.759 |
| 40 |  |  | CHEMBL31592 | 8.801 | 1 | 1 | 0.98 | 4.29 |
| 41 |  |  | CHEMBL316453 | 8.523 | 1 | 1 | 0.66 | 5.681 |
| 42 |  |  | CHEMBL32075 | 8.4 | 1 | 1 | 0.84 | 4.636 |
| 43 |  |  | CHEMBL2058373 | 8.018 | 1 | 1 | 0.93 | 7.153 |
| 44 |  |  | CHEMBL2058375 | 8.0 | 1 | 1 | 0.93 | 6.639 |
| 45 |  |  | CHEMBL2058368 | 7.409 | 1 | 1 | 0.95 | 5.72 |
| 46 |  |  | CHEMBL31696 | 7.4 | 1 | 1 | 0.79 | 3.075 |
| 47 |  |  | CHEMBL436821 | 7.348 | 1 | 1 | 0.91 | 6.475 |
| 48 |  |  | CHEMBL32574 | 6.7 | 1 | 0 | 0.98 | 5.834 |
| 49 |  |  | CHEMBL286333 | 5.301 | 0 | 0 | 0.86 | 4.489 |
| 50 |  |  | CHEMBL286214 | 4.585 | 0 | 0 | 0.87 | 5.487 |